(2S)-1-[(2R)-2-[(1S)-1-hydroxy-2-(hydroxyamino)-2-oxoethyl]hexanoyl]-N-propylpyrrolidine-2-carboxamide

C16H29N3O5 — CID 23520227

IUPAC(2S)-1-[(2R)-2-[(1S)-1-hydroxy-2-(hydroxyamino)-2-oxoethyl]hexanoyl]-N-propylpyrrolidine-2-carboxamide
SMILESCCCC[C@@H](C(=O)N1CCC[C@H]1C(=O)NCCC)[C@H](O)C(=O)NO
InChIInChI=1S/C16H29N3O5/c1-3-5-7-11(13(20)15(22)18-24)16(23)19-10-6-8-12(19)14(21)17-9-4-2/h11-13,20,24H,3-10H2,1-2H3,(H,17,21)(H,18,22)/t11-,12+,13+/m1/s1
InChIKeyGGDRMLIFDZMARF-AGIUHOORSA-N
MW343.42 g/mol
LogP0.18
Rot. Bonds9

About (2S)-1-[(2R)-2-[(1S)-1-hydroxy-2-(hydroxyamino)-2-oxoethyl]hexanoyl]-N-propylpyrrolidine-2-carboxamide

(2S)-1-[(2R)-2-[(1S)-1-hydroxy-2-(hydroxyamino)-2-oxoethyl]hexanoyl]-N-propylpyrrolidine-2-carboxamide (PubChem CID 23520227) has the molecular formula C16H29N3O5 and a molecular weight of 343.42 g/mol. Its IUPAC name is (2S)-1-[(2R)-2-[(1S)-1-hydroxy-2-(hydroxyamino)-2-oxoethyl]hexanoyl]-N-propylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-[(2R)-2-[(1S)-1-hydroxy-2-(hydroxyamino)-2-oxoethyl]hexanoyl]-N-propylpyrrolidine-2-carboxamide
PubChem CID23520227
Molecular FormulaC16H29N3O5
Molecular Weight343.42 g/mol
Exact Mass343.21
IUPAC Name(2S)-1-[(2R)-2-[(1S)-1-hydroxy-2-(hydroxyamino)-2-oxoethyl]hexanoyl]-N-propylpyrrolidine-2-carboxamide
SMILESCCCC[C@@H](C(=O)N1CCC[C@H]1C(=O)NCCC)[C@H](O)C(=O)NO
InChIInChI=1S/C16H29N3O5/c1-3-5-7-11(13(20)15(22)18-24)16(23)19-10-6-8-12(19)14(21)17-9-4-2/h11-13,20,24H,3-10H2,1-2H3,(H,17,21)(H,18,22)/t11-,12+,13+/m1/s1
InChIKeyGGDRMLIFDZMARF-AGIUHOORSA-N
XLogP0.18
TPSA118.97 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.42
LogP ≤ 50.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (2S)-1-[(2R)-2-[(1S)-1-hydroxy-2-(hydroxyamino)-2-oxoethyl]hexanoyl]-N-propylpyrrolidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Marimastat
CID 119031
(2R,3S)-N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-N\',3-dihydroxy-2-(2-methylpropyl)butanediamide
CID 21867770
(2S,3R)-N,2-dihydroxy-N'-[(2R)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]-3-(2-methylpropyl)butanediamide
CID 44311510
N*4*-(2,2-Dimethyl-1-methylcarbamoyl-propyl)-2,N*1*-dihydroxy-3-isobutyl-succinamide(Marimisant)
CID 44342614
(2S)-N,2-dihydroxy-3-(2-methylpropyl)-N'-[(3S)-2-oxo-azacyclotridec-3-yl]butanediamide
CID 44406655
(2S)-1-[(2R)-2-[(1S)-1-hydroxy-2-(hydroxyamino)-2-oxoethyl]hexanoyl]-N-(2-methylbutan-2-yl)pyrrolidine-2-carboxamide
CID 23520183
(2S)-1-[(2R)-2-[(1S)-1-hydroxy-2-(hydroxyamino)-2-oxoethyl]hexanoyl]-N-propan-2-ylpyrrolidine-2-carboxamide
CID 23520188
(2S,3R)-3-[(2S)-2-(azetidine-1-carbonyl)pyrrolidine-1-carbonyl]-N,2-dihydroxyheptanamide
CID 23520209
(2S)-N-cyclohexyl-1-[(2R)-2-[(1S)-1-hydroxy-2-(hydroxyamino)-2-oxoethyl]hexanoyl]pyrrolidine-2-carboxamide
CID 23520212
(2S)-1-[(2R)-2-[(1S)-1-hydroxy-2-(hydroxyamino)-2-oxoethyl]hexanoyl]-N-methylpyrrolidine-2-carboxamide
CID 23520222
(2S)-1-[(2R)-2-[(1S)-1-hydroxy-2-(hydroxyamino)-2-oxoethyl]hexanoyl]-N-pentylpyrrolidine-2-carboxamide
CID 23520225
(2S,3R)-N,2-dihydroxy-3-[(2S)-2-(piperidine-1-carbonyl)pyrrolidine-1-carbonyl]heptanamide
CID 23520230

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(2R)-2-[(1S)-1-hydroxy-2-(hydroxyamino)-2-oxoethyl]hexanoyl]-N-propylpyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-[(2R)-2-[(1S)-1-hydroxy-2-(hydroxyamino)-2-oxoethyl]hexanoyl]-N-propylpyrrolidine-2-carboxamide (CID 23520227) is (2S)-1-[(2R)-2-[(1S)-1-hydroxy-2-(hydroxyamino)-2-oxoethyl]hexanoyl]-N-propylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-[(2R)-2-[(1S)-1-hydroxy-2-(hydroxyamino)-2-oxoethyl]hexanoyl]-N-propylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-[(2R)-2-[(1S)-1-hydroxy-2-(hydroxyamino)-2-oxoethyl]hexanoyl]-N-propylpyrrolidine-2-carboxamide is CCCC[C@@H](C(=O)N1CCC[C@H]1C(=O)NCCC)[C@H](O)C(=O)NO.
What is the InChIKey of (2S)-1-[(2R)-2-[(1S)-1-hydroxy-2-(hydroxyamino)-2-oxoethyl]hexanoyl]-N-propylpyrrolidine-2-carboxamide?
The InChIKey is GGDRMLIFDZMARF-AGIUHOORSA-N. The full InChI is InChI=1S/C16H29N3O5/c1-3-5-7-11(13(20)15(22)18-24)16(23)19-10-6-8-12(19)14(21)17-9-4-2/h11-13,20,24H,3-10H2,1-2H3,(H,17,21)(H,18,22)/t11-,12+,13+/m1/s1.
What are the key properties of (2S)-1-[(2R)-2-[(1S)-1-hydroxy-2-(hydroxyamino)-2-oxoethyl]hexanoyl]-N-propylpyrrolidine-2-carboxamide?
(2S)-1-[(2R)-2-[(1S)-1-hydroxy-2-(hydroxyamino)-2-oxoethyl]hexanoyl]-N-propylpyrrolidine-2-carboxamide has a molecular weight of 343.42 g/mol, XLogP of 0.18, 9 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(2R)-2-[(1S)-1-hydroxy-2-(hydroxyamino)-2-oxoethyl]hexanoyl]-N-propylpyrrolidine-2-carboxamide is sourced from PubChem (CID 23520227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).